1-cyclopropyl-3-[4-[(2,4-difluorophenyl)sulfonylamino]phenyl]urea

C16H15F2N3O3S — CID 134025769

IUPAC1-cyclopropyl-3-[4-[(2,4-difluorophenyl)sulfonylamino]phenyl]urea
SMILESO=C(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1)NC1CC1
InChIInChI=1S/C16H15F2N3O3S/c17-10-1-8-15(14(18)9-10)25(23,24)21-13-6-4-12(5-7-13)20-16(22)19-11-2-3-11/h1,4-9,11,21H,2-3H2,(H2,19,20,22)
InChIKeyINAFABYZGUAQJI-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.05
Rot. Bonds5

About 1-cyclopropyl-3-[4-[(2,4-difluorophenyl)sulfonylamino]phenyl]urea

1-cyclopropyl-3-[4-[(2,4-difluorophenyl)sulfonylamino]phenyl]urea (PubChem CID 134025769) has the molecular formula C16H15F2N3O3S and a molecular weight of 367.38 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-[(2,4-difluorophenyl)sulfonylamino]phenyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[4-[(2,4-difluorophenyl)sulfonylamino]phenyl]urea
PubChem CID134025769
Molecular FormulaC16H15F2N3O3S
Molecular Weight367.38 g/mol
Exact Mass367.08
IUPAC Name1-cyclopropyl-3-[4-[(2,4-difluorophenyl)sulfonylamino]phenyl]urea
SMILESO=C(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1)NC1CC1
InChIInChI=1S/C16H15F2N3O3S/c17-10-1-8-15(14(18)9-10)25(23,24)21-13-6-4-12(5-7-13)20-16(22)19-11-2-3-11/h1,4-9,11,21H,2-3H2,(H2,19,20,22)
InChIKeyINAFABYZGUAQJI-UHFFFAOYSA-N
XLogP3.05
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-[(2,4-difluorophenyl)sulfonylamino]phenyl]urea?
The IUPAC name of 1-cyclopropyl-3-[4-[(2,4-difluorophenyl)sulfonylamino]phenyl]urea (CID 134025769) is 1-cyclopropyl-3-[4-[(2,4-difluorophenyl)sulfonylamino]phenyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[4-[(2,4-difluorophenyl)sulfonylamino]phenyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[4-[(2,4-difluorophenyl)sulfonylamino]phenyl]urea is O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[4-[(2,4-difluorophenyl)sulfonylamino]phenyl]urea?
The InChIKey is INAFABYZGUAQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O3S/c17-10-1-8-15(14(18)9-10)25(23,24)21-13-6-4-12(5-7-13)20-16(22)19-11-2-3-11/h1,4-9,11,21H,2-3H2,(H2,19,20,22).
What are the key properties of 1-cyclopropyl-3-[4-[(2,4-difluorophenyl)sulfonylamino]phenyl]urea?
1-cyclopropyl-3-[4-[(2,4-difluorophenyl)sulfonylamino]phenyl]urea has a molecular weight of 367.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[4-[(2,4-difluorophenyl)sulfonylamino]phenyl]urea is sourced from PubChem (CID 134025769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).